UCSF

ZINC53683038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.18 9.65 -8.81 1 5 0 73 302.411 15

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.21e-02 g/l DrugBank-experimental

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )